S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-heptoxybenzenecarbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-heptoxybenzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 4-heptoxybenzenecarbothioate CAS Name: 4-heptoxybenzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 4-heptoxybenzenecarbothioate Traditional Name: 4-heptoxythiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C25H39NO3S MolecularWeight: 433.64706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=C(C=C1)OCCCCCCC

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=C(C=C1)OCCCCCCC

InChI

InChI=1S/C25H39NO3S/c1-3-5-7-9-10-12-19-26-24(27)18-21-30-25(28)22-14-16-23(17-15-22)29-20-13-11-8-6-4-2/h14-18,21H,3-13,19-20H2,1-2H3,(H,26,27)/b21-18+